data_AVS_bmrb_pdb_report_18181 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18181 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 53 ARG Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 18181 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 53 ARG C 173.79 . 176.41 2.03 1.9683e-01 18181 1 1 1 1 53 ARG CA 53.12 . 56.77 2.31 1.1409e-01 18181 1 1 1 1 53 ARG CB 37.46 S 30.7 1.83 2.2076e-04 18181 1 1 1 1 53 ARG CG 28.39 . 27.21 1.2 3.2544e-01 18181 1 1 1 1 53 ARG CD 43.61 . 43.16 0.88 6.0910e-01 18181 1 1 1 1 53 ARG H 9.49 . 8.24 0.61 4.0445e-02 18181 1 1 1 1 53 ARG HA 4.87 . 4.3 0.46 2.1530e-01 18181 1 1 1 1 53 ARG HB2 1.72 . 1.79 0.27 7.9544e-01 18181 1 1 1 1 53 ARG HB3 1.55 . 1.76 0.28 4.5325e-01 18181 1 1 1 1 53 ARG HG2 1.43 . 1.57 0.27 6.0410e-01 18181 1 1 1 1 53 ARG HG3 1.37 . 1.54 0.29 5.5774e-01 18181 1 1 1 1 53 ARG HD2 3.75 . 3.12 0.24 8.6649e-03 18181 1 1 1 1 53 ARG HD3 3.21 . 3.1 0.26 6.7224e-01 18181 1 1 1 1 53 ARG HE 7.20 . 7.4 0.63 7.5089e-01 18181 1 1 1 1 53 ARG N 126.63 . 120.8 3.68 1.1314e-01 18181 1 1 1 1 53 ARG NE 116.21 A 84.63 1.68 7.8983e-79 18181 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 53 ARG GLY 0.96 18181 1 1 1 1 53 ARG LYS 0.02 18181 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18181 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 18181 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18181 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18181 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18181 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_